BDBM50428738 CHEMBL2333163::Sesquibastadin 1

SMILES: Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br

InChI Key: InChIKey=HJVFTUSVRMGBLM-UHFFFAOYSA-N

Data: 21 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50428738   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin-A (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of VEGFR3 (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of aurora-B (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
NUAK family SNF1-like kinase 1 (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of ARK5 (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of aurora-A (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of COT (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of EPHB4 (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of ERBB2 (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of IGF1R (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of INSR (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of MET (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of PDGFR-beta (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of SAK (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of SRC (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Angiopoietin-1 receptor (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of TIE2 (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM50428738 (CHEMBL2333163 | Sesquibastadin 1) Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine University Curated by ChEMBL					Assay Description Inhibition of CDK4/cyclin-D1 (unknown origin)				J Nat Prod 76: 121-5 (2013) Article DOI: 10.1021/np300764u BindingDB Entry DOI: 10.7270/Q21N82F5
					More data for this Ligand-Target Pair